SCHEMBL1250455

SCHEMBL1250455

O=C(O)[C@H]1CC[C@H](NOCc2ccccc2)CN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
EPHX2 P34913 2/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
DPP4 P27487 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIA2 P42262 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19856419 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL15309876 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL19856434 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL19732237 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL1250452 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL1250453 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL1666704 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
Hydrochloric Acid SCHEMBL16611847 0.99 ALDH1A1 (0.44) ALDH1A1GAATSHRNPC1RAB9A
Oxalic Acid SCHEMBL28413982 0.97 ALDH1A1 (0.43) ALDH1A1GAATSHRNPC1RAB9A
Oxalic Acid SCHEMBL28402896 0.97 ALDH1A1 (0.43) ALDH1A1GAATSHRNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391725-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY EVOTEC INTERNATIONAL GMBH (DE) 2023-12-07 US disclosed
EP-2279737-B1 Heterocyclic compounds that are active as beta lactamase inhibitors NOVEXEL (FR) 2012-10-31 EP disclosed
EP-2279737-A1 Heterocyclic compounds that are active as beta lactamase inhibitors NOVEXEL (FR) 2011-02-02 EP disclosed
EP-1480644-B1 NOVEL HETEROCYCLIC COMPOUNDS WHICH ARE ACTIVE AS INHIBITORS OF BETA+LACTAMASES NOVEXEL (FR) 2010-10-13 EP disclosed
EP-1480644-A2 NOVEL HETEROCYCLIC COMPOUNDS WHICH ARE ACTIVE AS INHIBITORS OF BETA+LACTAMASES Aventis Pharma S.A. (FR) 2004-12-01 EP disclosed
EP-1307457-B1 AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-04-07 EP disclosed
WO-2003063864-A2 HETEROCYCLIC COMPOUNDS WHICH ARE ACTIVE AS INHIBITORS OF BETA LACTAMASES AVENTIS PHARMA S.A. (FR) 2003-08-07 WO disclosed
EP-1307457-A1 AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2003-05-07 EP disclosed
WO-2002010172-A1 AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2002-02-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230391725-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY AVPR1B, CRH, CRHR1 ALDH1A1 3464/4885GAA 3322/4885TSHR 356/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.